SCHEMBL27992857

SCHEMBL27992857

COc1ccccc1Cn1cccc1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ BCHE P06276 3/20 0.50
▸ MAOB P27338 2/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ ABCB1 P08183 2/20 0.44
▸ REV1 Q9UBZ9 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MGAM O43451 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ SI P14410 2/20 0.42
▸ MGAM2 Q2M2H8 2/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ DBH P09172 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ GSTP1 P09211 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28179451 0.90 TDP1 (0.47) L3MBTL1MAOBALDH1A1REV1MGAM
SCHEMBL28815504 0.84 CYP11B1 (0.51) BCHEMAOBALDH1A1ABCB1REV1
SCHEMBL28851823 0.84 CYP11B1 (0.51) BCHEMAOBALDH1A1ABCB1REV1
SCHEMBL28178663 0.84 MGAM (0.47) ALDH1A1ABCB1REV1MEN1KMT2A
SCHEMBL28179447 0.84 REV1 (0.50) L3MBTL1ALDH1A1ABCB1REV1MEN1
SCHEMBL28179445 0.83 MAPK14 (0.51) L3MBTL1BCHEMAOBMAOAALDH1A1
SCHEMBL27992859 0.81 REV1 (0.53) L3MBTL1ALDH1A1ABCB1REV1MEN1
SCHEMBL28179455 0.81 MAOB (0.55) BCHEMAOBABCB1LMNA
SCHEMBL28179433 0.79 REV1 (0.50) BCHEMAOBALDH1A1REV1MEN1
SCHEMBL1666367 0.77 TLR8 (0.48) L3MBTL1BCHEMAOBKDM1AMAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104370793-B Pyroles marine alkaloids Neolamellarin A analogs and its preparation method and application 中国海洋大学 2017-10-17 — — CN disclosed
CN-104370793-A Pyrrole ocean alkaloids Neolamellarin A analogue and preparation method and application thereof OCEAN UNIV CHINA 2015-02-25 — — CN disclosed
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